2-amino-6-bromo-8-cyclopropyl-4-methylpyrido[2,3-d]pyrimidin-7-one

C11H11BrN4O — CID 71131657

IUPAC2-amino-6-bromo-8-cyclopropyl-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(Br)c(=O)n2C1CC1
InChIInChI=1S/C11H11BrN4O/c1-5-7-4-8(12)10(17)16(6-2-3-6)9(7)15-11(13)14-5/h4,6H,2-3H2,1H3,(H2,13,14,15)
InChIKeyVVVFYRBZPHUTDV-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.78
Rot. Bonds1

About 2-amino-6-bromo-8-cyclopropyl-4-methylpyrido[2,3-d]pyrimidin-7-one

2-amino-6-bromo-8-cyclopropyl-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 71131657) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-amino-6-bromo-8-cyclopropyl-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-bromo-8-cyclopropyl-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID71131657
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name2-amino-6-bromo-8-cyclopropyl-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(Br)c(=O)n2C1CC1
InChIInChI=1S/C11H11BrN4O/c1-5-7-4-8(12)10(17)16(6-2-3-6)9(7)15-11(13)14-5/h4,6H,2-3H2,1H3,(H2,13,14,15)
InChIKeyVVVFYRBZPHUTDV-UHFFFAOYSA-N
XLogP1.78
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-bromo-8-cyclobutyl-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 67240606
2-amino-6-bromo-4-methyl-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one
CID 59272731
2-amino-6-bromo-4-methyl-8-(4-methyl-1,4-oxazepan-6-yl)pyrido[2,3-d]pyrimidin-7-one
CID 42609544
CID 88936750
CID 88936750
2-amino-6-benzyl-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;2-amino-6-bromo-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one;aniline;methane
CID 160906327
2-amino-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59258864
2-amino-8-cyclopentyl-6-(2-methoxypyrimidin-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59259015
2-amino-8-cyclohexyl-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 70304240
2-amino-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59258910
2-amino-6-bromo-8-(2-ethoxyethyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 71129506
6-bromo-8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 25096679
2-[4-[2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide
CID 25032388

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-8-cyclopropyl-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-bromo-8-cyclopropyl-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 71131657) is 2-amino-6-bromo-8-cyclopropyl-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-bromo-8-cyclopropyl-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-bromo-8-cyclopropyl-4-methylpyrido[2,3-d]pyrimidin-7-one is Cc1nc(N)nc2c1cc(Br)c(=O)n2C1CC1.
What is the InChIKey of 2-amino-6-bromo-8-cyclopropyl-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VVVFYRBZPHUTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-5-7-4-8(12)10(17)16(6-2-3-6)9(7)15-11(13)14-5/h4,6H,2-3H2,1H3,(H2,13,14,15).
What are the key properties of 2-amino-6-bromo-8-cyclopropyl-4-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-6-bromo-8-cyclopropyl-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 295.14 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromo-8-cyclopropyl-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 71131657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).